Ligand name: Ado-P-Ch2-P-Ps-Ado
PDB ligand accession: IB2
DrugBank: DB04389
PubChem: n/a
ChEMBL: n/a
InChI Key: UJCWOSLCGXVJOD-LCHUORCTSA-N
SMILES: [H][C@]1(COP(O)(=O)CP(O)(=O)O[P@](O)(=S)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
Drug action: n/a

List of small molecule binding-associated PTMs for P49789

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
SER	2	Phosphorylation		PyMOL_RFAA
THR	62	Phosphorylation		PyMOL_RFAA